Investigating Mutations to Reduce Huntingtin Aggregation by Increasing Htt-N-Terminal Stability and Weakening Interactions with PolyQ Domain

Algorithm 1

Generating the mutational landscapes of the Htt-N-term.

(1) procedure GENERATELANDSCAPE(, )

(2)     if    then

(3)    return null

(4)     end if

(5)      List(“ARNDCQEGHILKMFPSTWYV”)

(6)     

(7)     for   in []  do

(8)    for   in   do

(9)       mutate(position ≔ , mutation  ≔ , )

(10)        createStructure(, )

(11)         calculateCoulombEnergy()

(12)         calculateLJEnergy()

(13)         calculateSolvationEnergy()

(14)        

(15)    end for

(16)     end for

(17)     

(18) end procedure